1-Methylpiperazine → 4-(4-methylpiperazin-1-ylmethyl)-N-[2-fluoro-5-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide
Reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[F:8][c:9]1[c:10]([NH:28][C:29]([c:30]2[cH:31][cH:32][c:33]([CH2:36][Cl:37])[cH:34][cH:35]2)=[O:38])[cH:11][c:12]([NH:15][c:16]2[n:17][cH:18][cH:19][c:20](-[c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)[n:21]2)[cH:13][cH:14]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:36][c:33]2[cH:32][cH:31][c:30]([C:29]([NH:28][c:10]3[c:9]([F:8])[cH:14][cH:13][c:12]([NH:15][c:16]4[n:17][cH:18][cH:19][c:20](-[c:22]5[cH:23][n:24][cH:25][cH:26][cH:27]5)[n:21]4)[cH:11]3)=[O:38])[cH:35][cH:34]2)[CH2:6][CH2:7]1Participants
3
Sources & evidence
- ORD record
- ord-cadd6628b4f6415dbd2be9e151c45eb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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